methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate

C14H26N2O4 — CID 112543780

IUPACmethyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
SMILESCCCCC1CC(NC(=O)OCC)CN(C(=O)OC)C1
InChIInChI=1S/C14H26N2O4/c1-4-6-7-11-8-12(15-13(17)20-5-2)10-16(9-11)14(18)19-3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyYLHCXTBRBPTRGV-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.38
Rot. Bonds5

About methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate

methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate (PubChem CID 112543780) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
PubChem CID112543780
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
SMILESCCCCC1CC(NC(=O)OCC)CN(C(=O)OC)C1
InChIInChI=1S/C14H26N2O4/c1-4-6-7-11-8-12(15-13(17)20-5-2)10-16(9-11)14(18)19-3/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyYLHCXTBRBPTRGV-UHFFFAOYSA-N
XLogP2.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786
methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544419
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543842
ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543863
methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
CID 112543268
ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate
CID 112543964
methyl 3-butyl-5-(2,2-difluoroethylamino)piperidine-1-carboxylate
CID 83992924
ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544038
ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547
methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112543814

Frequently Asked Questions

What is the IUPAC name of methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate (CID 112543780) is methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate is CCCCC1CC(NC(=O)OCC)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate?
The InChIKey is YLHCXTBRBPTRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-6-7-11-8-12(15-13(17)20-5-2)10-16(9-11)14(18)19-3/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate?
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 112543780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).